4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=27.476471861572826 stress="-1.6064529724997185 0.46984201990386887 0.0714595891375197 0.46984201990386887 -2.3284139391937266 -0.047504323920311814 0.0714595891375197 -0.047504323920311814 -2.103660503712095" free_energy=27.476471861572826 pbc="F T T"
O       0.21219253       2.92485375       0.12990665     -23.32759005      20.27323298      -4.11208685 
O       1.28220450       1.78278197       0.06210000      23.35105368     -23.06548835      -7.27447452 
O       1.63362859       2.82702941       1.47514463      11.59828500       7.85539408       4.86906846 
O       0.04852473       1.55473499       1.41561068     -11.62174863      -5.06313871       6.51749290